SCHEMBL4877460

SCHEMBL4877460

Cc1ncoc1-c1nnc(S)n1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.39
KCNH2 Q12809 12/20 0.39
DRD2 P14416 14/20 0.38
CYP2D6 P10635 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 1/20 0.36
HRH1 P35367 2/20 0.36
CYP3A4 P08684 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16480593 0.81 DRD3 (0.40) DRD3KCNH2DRD2CYP2D6CHRM1
SCHEMBL13895695 0.76 DRD3 (0.39) DRD3KCNH2DRD2HRH1
SCHEMBL8021753 0.71 IMPDH2 (0.39)
SCHEMBL17712879 0.69 DRD3 (0.55) DRD3KCNH2DRD2CHRM1CHRM3
SCHEMBL11911777 0.69 DRD2 (0.30) DRD3KCNH2DRD2
SCHEMBL25436203 0.69 DRD3 (0.31) DRD3KCNH2DRD2CHRM1CHRM3
SCHEMBL378667 0.68 DRD3 (0.60) DRD3KCNH2DRD2CYP2D6CHRM1
SCHEMBL17725475 0.67 DRD3 (0.59) DRD3KCNH2DRD2CYP2D6CHRM1
SCHEMBL17713118 0.67 DRD3 (0.47) DRD3KCNH2DRD2CHRM1CHRM3
SCHEMBL14557028 0.66 HSD11B1 (0.34) DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 EP disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
CN-107108597-B Dopamine D3 receptor antagonist compounds 英立维尔英国有限公司 2020-04-17 CN disclosed
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 US disclosed
US-7838680-B2 Process for preparing heterocyclic derivatives GLAXO GROUP LIMITED (GB) 2010-11-23 US disclosed
US-20100048895-A1 Process for Preparing Heterocyclic Derivatives GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048895-A1 Process for Preparing Heterocyclic Derivatives GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080058398-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058398-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
EP-1737851-A1 TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005087764-A1 TETRAHYDROBENZAZEPINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) GLAXO GROUP LIMITED (GB) 2005-09-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058398-A1 Compounds TPMT, PPP4C, SLCO4C1 DRD3 2001/4885KCNH2 1730/4885DRD2 3033/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DRD3 1/4885KCNH2 1283/4885DRD2 2/4885
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 399/4885DRD2 2/4885
US-20100048895-A1 Process for Preparing Heterocyclic Derivatives HCAR3, CBR3, HRH4 DRD3 97/4885KCNH2 1038/4885DRD2 215/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 DRD3 1/4885KCNH2 1888/4885DRD2 2/4885
US-20070232808-A1 PROCESS FOR PREPARING HETEROCYCLIC DERIVATIVES HCAR3, CBR3, NR4A3 DRD3 95/4885KCNH2 891/4885DRD2 248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.